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1-Methyl-4-(phenylthio)spiro[5.5]undeca-1,3-dien-7-one
SpectraBase Compound ID 6veADbHntzU
InChI InChI=1S/C18H20OS/c1-14-10-11-16(20-15-7-3-2-4-8-15)13-18(14)12-6-5-9-17(18)19/h2-4,7-8,10-11H,5-6,9,12-13H2,1H3
InChIKey DAAMFJXFBFJLMW-UHFFFAOYSA-N
Mol Weight 284.42 g/mol
Molecular Formula C18H20OS
Exact Mass 284.123486 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1rY6sXfn9c6
Name 1-Methyl-4-(phenylthio)spiro[5.5]undeca-1,3-dien-7-one
CAS Registry Number 85336-02-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H20OS
InChI InChI=1S/C18H20OS/c1-14-10-11-16(20-15-7-3-2-4-8-15)13-18(14)12-6-5-9-17(18)19/h2-4,7-8,10-11H,5-6,9,12-13H2,1H3
InChIKey DAAMFJXFBFJLMW-UHFFFAOYSA-N
Molecular Weight 284.417 g/mol
SMILES C12(C(=CC=C(C2)Sc2ccccc2)C)C(=O)CCCC1
SPLASH splash10-0a59-6490000000-1df5693bab51d3babe10
Source of Spectrum J-50-4263-36
Synonyms 7-Methyl-10-(phenylsulfanyl)spiro[5.5]undeca-7,9-dien-1-one
Wiley ID 1288222